2-fluoro-4-methoxy-N-(2-methylsulfinylpropyl)benzamide

C12H16FNO3S — CID 103846823

IUPAC2-fluoro-4-methoxy-N-(2-methylsulfinylpropyl)benzamide
SMILESCOc1ccc(C(=O)NCC(C)S(C)=O)c(F)c1
InChIInChI=1S/C12H16FNO3S/c1-8(18(3)16)7-14-12(15)10-5-4-9(17-2)6-11(10)13/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyRLDKKFHYRNEULW-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.33
Rot. Bonds5

About 2-fluoro-4-methoxy-N-(2-methylsulfinylpropyl)benzamide

2-fluoro-4-methoxy-N-(2-methylsulfinylpropyl)benzamide (PubChem CID 103846823) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-(2-methylsulfinylpropyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-(2-methylsulfinylpropyl)benzamide
PubChem CID103846823
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name2-fluoro-4-methoxy-N-(2-methylsulfinylpropyl)benzamide
SMILESCOc1ccc(C(=O)NCC(C)S(C)=O)c(F)c1
InChIInChI=1S/C12H16FNO3S/c1-8(18(3)16)7-14-12(15)10-5-4-9(17-2)6-11(10)13/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyRLDKKFHYRNEULW-UHFFFAOYSA-N
XLogP1.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-4-methoxy-N-(2-methylsulfinylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromopropyl)-2-fluoro-4-methoxybenzamide
CID 102885225
2-bromo-5-methoxy-N-(2-methylsulfinylpropyl)benzamide
CID 115764428
2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide
CID 102882133
N-(2-aminobutyl)-2-fluoro-4-methoxybenzamide
CID 102884002
N-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide
CID 103658335
N-(2-chloro-2-phenylethyl)-2-fluoro-4-methoxybenzamide
CID 102885176
N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
CID 102883572
2-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120828496
N-but-2-ynyl-2-fluoro-4-methoxybenzamide
CID 103868606
N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide
CID 9224867
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
N-(3-amino-2-methylpropyl)-2-fluoro-4-(4-methoxyphenyl)benzamide
CID 119997586

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-(2-methylsulfinylpropyl)benzamide?
The IUPAC name of 2-fluoro-4-methoxy-N-(2-methylsulfinylpropyl)benzamide (CID 103846823) is 2-fluoro-4-methoxy-N-(2-methylsulfinylpropyl)benzamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-(2-methylsulfinylpropyl)benzamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-(2-methylsulfinylpropyl)benzamide is COc1ccc(C(=O)NCC(C)S(C)=O)c(F)c1.
What is the InChIKey of 2-fluoro-4-methoxy-N-(2-methylsulfinylpropyl)benzamide?
The InChIKey is RLDKKFHYRNEULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-8(18(3)16)7-14-12(15)10-5-4-9(17-2)6-11(10)13/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of 2-fluoro-4-methoxy-N-(2-methylsulfinylpropyl)benzamide?
2-fluoro-4-methoxy-N-(2-methylsulfinylpropyl)benzamide has a molecular weight of 273.33 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-(2-methylsulfinylpropyl)benzamide is sourced from PubChem (CID 103846823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).